Search found 2 matches

by Yongju
Tue Sep 26, 2017 6:18 am
Forum: Bader
Topic: Different grid points about CHGCAR
Replies: 2
Views: 6922

Re: Different grid points about CHGCAR

Thank you for your reply.

As you mentioned, I knew FFT grid can be determined by NGXF etc.. but I don't know where and how should I write those NGXF, NGYF, NGZF in INCAR file. If I want 56*56*280 grid, should I write NGXF=56, NGYF=56, NGZF=280?
by Yongju
Tue Sep 26, 2017 5:12 am
Forum: Bader
Topic: Different grid points about CHGCAR
Replies: 2
Views: 6922

Different grid points about CHGCAR

Hello, I need some help about CHGCAR file. I want to visualize charge difference with VESTA program about Ni/WC system. But among CHGCAR files (Ni/WC, Ni, WC), only Ni CHGCAR file has different grid points. Ni/WC and WC have 56*56*280 but Ni has 54*54*250. Lattice vectors in POSCAR, KPOINTS, INCAR i...